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BioLiP

PDB CCD ID: OAC
Number of entries in BioLiP: 1
Chemical formula: C10 H12 O3
InChI: InChI=1S/C10H12O3/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKey: HGNFDPZASRDVLL-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@H](Cc1ccccc1O)C(O)=O
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1O)C(=O)O
ACDLabs 10.04O=C(O)C(Cc1ccccc1O)C
CACTVS 3.341C[CH](Cc1ccccc1O)C(O)=O
Name:TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE
DrugBank: DB01662
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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